5-amino-1,3,4-oxadiazole-2-carboxamide

C3H4N4O2 — CID 1267899

IUPAC5-amino-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(N)o1
InChIInChI=1S/C3H4N4O2/c4-1(8)2-6-7-3(5)9-2/h(H2,4,8)(H2,5,7)
InChIKeyQBUIFCDHEQYTDG-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.25
Rot. Bonds1

About 5-amino-1,3,4-oxadiazole-2-carboxamide

5-amino-1,3,4-oxadiazole-2-carboxamide (PubChem CID 1267899) has the molecular formula C3H4N4O2 and a molecular weight of 128.09 g/mol. Its IUPAC name is 5-amino-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-1,3,4-oxadiazole-2-carboxamide
PubChem CID1267899
Molecular FormulaC3H4N4O2
Molecular Weight128.09 g/mol
Exact Mass128.03
IUPAC Name5-amino-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)c1nnc(N)o1
InChIInChI=1S/C3H4N4O2/c4-1(8)2-6-7-3(5)9-2/h(H2,4,8)(H2,5,7)
InChIKeyQBUIFCDHEQYTDG-UHFFFAOYSA-N
XLogP-1.25
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-amino-1,3,4-oxadiazole-2-carboxamide (CID 1267899) is 5-amino-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-amino-1,3,4-oxadiazole-2-carboxamide is NC(=O)c1nnc(N)o1.
What is the InChIKey of 5-amino-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QBUIFCDHEQYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O2/c4-1(8)2-6-7-3(5)9-2/h(H2,4,8)(H2,5,7).
What are the key properties of 5-amino-1,3,4-oxadiazole-2-carboxamide?
5-amino-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 128.09 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 1267899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).